mp-546142/Na2UO4/harm

Harmonic properties

../../_images/fig_bandos_pr9404.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13179.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9404.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29166.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times16376.png

(a) Computation time